General Information of the Compound
| Compound ID |
CP0573423
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| Compound Name |
2-phenacyl-4-propyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C20H18N4O2S
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| Molecular Weight |
378.457
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| Canonical SMILES |
CCCn1c2nn(CC(=O)c3ccccc3)c(=S)n2c2ccccc2c1=O
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| InChI |
InChI=1S/C20H18N4O2S/c1-2-12-22-18(26)15-10-6-7-11-16(15)24-19(22)21-23(20(24)27)13-17(25)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
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| InChIKey |
VEIFQCWXUBNKKM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound